Mrv1533004191517262D 34 37 0 0 0 0 999 V2000 1.9758 -3.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2561 -2.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7243 -2.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9122 -2.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6319 -2.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3804 -1.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 -0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4728 -0.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1289 -0.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4092 0.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6832 -0.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1278 -3.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1376 -0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1351 -0.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7655 -1.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0489 -2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -2.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 6 4 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 20 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 17 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 12 33 1 0 0 0 0 16 33 1 0 0 0 0 33 34 1 0 0 0 0 M END > NP0276549 > NP-MRD > CC(CC(=O)C=C(C)C(O)=O)C1(C)CC=C2C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C > InChI=1S/C30H44O4/c1-18(26(33)34)16-20(31)17-19(2)29(6)14-11-23-21-8-9-24-27(3,4)25(32)12-13-28(24,5)22(21)10-15-30(23,29)7/h8,11,16,19,22,24-25,32H,9-10,12-15,17H2,1-7H3,(H,33,34) > ABGXDYHSMIYRIC-UHFFFAOYSA-N > C30H44O4 > 468.678 > 468.323959897 > 4 > 78 > 55.08716530730908 > 1 > 2 > 0 > 0 > 6-{5-hydroxy-2,6,6,14,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-9,11-dien-14-yl}-2-methyl-4-oxohept-2-enoic acid > 6.46 > 5.716970884333334 > -5.47 > 0 > 4 > -1 > 19.554178833842155 > 3.578733711279247 > -0.8068196922330316 > 74.60000000000001 > 137.99659999999997 > 5 > 0 > 1.59e-03 g/l > 6-{5-hydroxy-2,6,6,14,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-9,11-dien-14-yl}-2-methyl-4-oxohept-2-enoic acid > 0 > NP0276549 > 6-{7-hydroxy-1,6,6,9a,11a-pentamethyl-2h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-2-methyl-4-oxohept-2-enoic acid $$$$